N-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine

C21H21F3NP — CID 123366588

IUPACN-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESFC(F)(F)c1cccc(CCCN(P)Cc2cccc3ccccc23)c1
InChIInChI=1S/C21H21F3NP/c22-21(23,24)19-11-3-6-16(14-19)7-5-13-25(26)15-18-10-4-9-17-8-1-2-12-20(17)18/h1-4,6,8-12,14H,5,7,13,15,26H2
InChIKeyXUUFEEQZAUWQEP-UHFFFAOYSA-N
MW375.37 g/mol
LogP6.08
Rot. Bonds6

About N-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine

N-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 123366588) has the molecular formula C21H21F3NP and a molecular weight of 375.37 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID123366588
Molecular FormulaC21H21F3NP
Molecular Weight375.37 g/mol
Exact Mass375.14
IUPAC NameN-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESFC(F)(F)c1cccc(CCCN(P)Cc2cccc3ccccc23)c1
InChIInChI=1S/C21H21F3NP/c22-21(23,24)19-11-3-6-16(14-19)7-5-13-25(26)15-18-10-4-9-17-8-1-2-12-20(17)18/h1-4,6,8-12,14H,5,7,13,15,26H2
InChIKeyXUUFEEQZAUWQEP-UHFFFAOYSA-N
XLogP6.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.37
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 156419
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Butenafine Hydrochloride
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Naftifine Hydrochloride
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Xaliproden Hydrochloride
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N-(1-naphthylmethyl)-N-(2-naphthylmethyl)amine
CID 2817655
N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 6101856
N-methyl(1-naphthyl)-N-(1-naphthylmethyl)methanamine
CID 223156
Dimethyldodecyl(1-naphthylmethyl)ammonium chloride
CID 61271

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 123366588) is N-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine is FC(F)(F)c1cccc(CCCN(P)Cc2cccc3ccccc23)c1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is XUUFEEQZAUWQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3NP/c22-21(23,24)19-11-3-6-16(14-19)7-5-13-25(26)15-18-10-4-9-17-8-1-2-12-20(17)18/h1-4,6,8-12,14H,5,7,13,15,26H2.
What are the key properties of N-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
N-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 375.37 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 123366588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).